2-(4-bromophenyl)-1-methylquinolin-4-one

C16H12BrNO — CID 142639179

IUPAC2-(4-bromophenyl)-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(Br)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-13(14)16(19)10-15(18)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyMAHSQPGITZEKHP-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.97
Rot. Bonds1

About 2-(4-bromophenyl)-1-methylquinolin-4-one

2-(4-bromophenyl)-1-methylquinolin-4-one (PubChem CID 142639179) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylquinolin-4-one
PubChem CID142639179
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name2-(4-bromophenyl)-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(Br)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-13(14)16(19)10-15(18)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyMAHSQPGITZEKHP-UHFFFAOYSA-N
XLogP3.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
1-((4-bromophenyl)methyl)-2,3-dihydro-1H-indole-2,3-dione
CID 3008304
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
8-Bromo-2-methyl-4-quinolinol
CID 843748
3-Bromo-2-methylquinolin-4-OL
CID 886844
6-Bromo-2-methylquinolin-4-ol
CID 2905902
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
2.2'-Bis-dimethylaminobenzophenon
CID 658530
(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 5379238
10-Methyl-1,3,4,10-tetrahydroacridin-9(2H)-one
CID 231951
1-Methyl-2-[(Z)-7-tridecenyl]-4(1H)-quinolone
CID 5319779

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methylquinolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-1-methylquinolin-4-one (CID 142639179) is 2-(4-bromophenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylquinolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-1-methylquinolin-4-one is Cn1c(-c2ccc(Br)cc2)cc(=O)c2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-methylquinolin-4-one?
The InChIKey is MAHSQPGITZEKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-13(14)16(19)10-15(18)11-6-8-12(17)9-7-11/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methylquinolin-4-one?
2-(4-bromophenyl)-1-methylquinolin-4-one has a molecular weight of 314.18 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 142639179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).